Thermodynamic re-assessment of the Al-Ir system

被引：16
|
作者：
Abe, T. [1 ]
Kocer, C. [2 ]
Ode, M. [1 ]
Murakami, H. [1 ]
Yamabe-Mitarai, Y. [1 ]
Hashimoto, K. [1 ]
Onodera, H. [1 ]
机构：
[1] Natl Inst Mat Sci, Tsukuba, Ibaraki 3050047, Japan
[2] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia
来源：
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY | 2008年 / 32卷 / 04期
基金：
日本学术振兴会; 日本科学技术振兴机构;
关键词：
Refractory alloy; Bond coat material; Structural vacancy; Ab initio calculations;
D O I：
10.1016/j.calphad.2008.09.014
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
The thermodynamic assessment of the Al-Ir binary system was performed using the CALPHAD technique. The B2-Allr phase was described, using the two sublattice model with the formula (Al. Ir, Va)(1/2)(Al, Ir, Va)(1/2), while Al(9)Ir(2), Al(3)Ir, Al(13)Ir(4), Al(45)Ir(13), Al(28)Ir(9), and Al(2.7)Ir compounds were treated as stoichiometric compounds. The fcc-based phases (L1(0)-Allr, L1(2)-Al(3)Ir, L1(2)-Allr(3) and A1) were described using the four sublattice model with the formula, (Al. Ir)(1/4)(Al, Ir)(1/4)(Al. Ir)(1/4)(Al. Ir)(1/4). From ab initio calculations (VASP) the formation enthalpies of the stable/metastable intermetallic phases involved in the Al-Ir system were estimated. The thermodynamic quantities, such as the phase equilibria, invariant reactions, and formation enthalpies of the intermetallic phases, were calculated using the obtained parameter set, and agree well with experimental data. (C) 2008 Elsevier Ltd. All rights reserved.
引用
收藏
页码：686 / 692
页数：7
相关论文
共 50 条
  • [21] The thermodynamic re-assessment of the Cu-Zr system
    Wang, Na
    Li, Changrong
    Du, Zhenmin
    Wang, Fuming
    Zhang, Weijing
    CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2006, 30 (04): : 461 - 469
  • [22] Thermodynamic Re-assessment of the Lanthanum-Tin System
    Li, Xiaojing
    Liu, Shuhong
    Liu, Yuling
    Du, Yong
    JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION, 2019, 40 (04) : 653 - 667
  • [23] Thermodynamic Re-assessment of the Ag-Ni-Sn system
    Liao, Lin
    Liu, Yanwen
    Liu, Shuhong
    Jin, Bo
    Du, Yong
    CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2022, 79
  • [24] Thermodynamic study and re-assessment of the Ge-Ni system
    Jin, Shan
    Leinenbach, Christian
    Wang, Jiang
    Duarte, Liliana I.
    Delsante, Simona
    Borzone, Gabriella
    Scott, Andrew
    Watson, Andrew
    CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2012, 38 : 23 - 34
  • [25] Thermodynamic re-assessment of Fe-Ti binary system
    Bo Hong
    Wang Jiang
    Duarte, Liliana
    Leinenbach, Christian
    Liu Li-bin
    Liu Hua-shan
    Jin Zhan-peng
    TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA, 2012, 22 (09) : 2204 - 2211
  • [26] Thermodynamic re-assessment of the Zn-P binary system
    Ghasemi, Masoomeh
    Stutz, E.
    Steinvall, S. Escobar
    Zamani, M.
    Fontcuberta i Morral, A.
    MATERIALIA, 2019, 6
  • [27] A Re-assessment of the Thermodynamic Properties of Palladium
    Arblaster, John W.
    JOHNSON MATTHEY TECHNOLOGY REVIEW, 2018, 62 (01): : 48 - 59
  • [28] An investigation of the phase diagram of the Al-Ir binary system
    Ode, Machiko
    Abe, Taichi
    Murakami, Hideyuki
    Yamabe-Mitarai, Yoko
    Hara, Toru
    Nagashio, Kosuke
    Kocer, Cenk
    Onodera, Hidehiro
    INTERMETALLICS, 2008, 16 (10) : 1171 - 1178
  • [29] Experimental investigation and thermodynamic re-assessment of the Mn–Gd binary system
    Jiang Wang
    Shidong Lin
    Maohua Rong
    Guanghui Rao
    Huaiying Zhou
    Journal of Thermal Analysis and Calorimetry, 2017, 128 : 1009 - 1018
  • [30] Experimental investigation and thermodynamic re-assessment of the Mn–Nd binary system
    Maohua Rong
    Liya Wang
    Jiang Wang
    Chaofan Zhu
    Taili Chen
    Guanghui Rao
    Huaiyin Zhou
    Journal of Thermal Analysis and Calorimetry, 2016, 126 : 1437 - 1445
12345